3-[4-[2-(cyclopentylamino)ethyl]triazol-1-yl]benzenesulfonyl fluoride

C15H19FN4O2S — CID 167972866

IUPAC3-[4-[2-(cyclopentylamino)ethyl]triazol-1-yl]benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1cccc(-n2cc(CCNC3CCCC3)nn2)c1
InChIInChI=1S/C15H19FN4O2S/c16-23(21,22)15-7-3-6-14(10-15)20-11-13(18-19-20)8-9-17-12-4-1-2-5-12/h3,6-7,10-12,17H,1-2,4-5,8-9H2
InChIKeyPEPWTDNZGSAEJR-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.00
Rot. Bonds6

About 3-[4-[2-(cyclopentylamino)ethyl]triazol-1-yl]benzenesulfonyl fluoride

3-[4-[2-(cyclopentylamino)ethyl]triazol-1-yl]benzenesulfonyl fluoride (PubChem CID 167972866) has the molecular formula C15H19FN4O2S and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[4-[2-(cyclopentylamino)ethyl]triazol-1-yl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name3-[4-[2-(cyclopentylamino)ethyl]triazol-1-yl]benzenesulfonyl fluoride
PubChem CID167972866
Molecular FormulaC15H19FN4O2S
Molecular Weight338.41 g/mol
Exact Mass338.12
IUPAC Name3-[4-[2-(cyclopentylamino)ethyl]triazol-1-yl]benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1cccc(-n2cc(CCNC3CCCC3)nn2)c1
InChIInChI=1S/C15H19FN4O2S/c16-23(21,22)15-7-3-6-14(10-15)20-11-13(18-19-20)8-9-17-12-4-1-2-5-12/h3,6-7,10-12,17H,1-2,4-5,8-9H2
InChIKeyPEPWTDNZGSAEJR-UHFFFAOYSA-N
XLogP2.00
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(cyclopentylamino)ethyl]triazol-1-yl]benzenesulfonyl fluoride?
The IUPAC name of 3-[4-[2-(cyclopentylamino)ethyl]triazol-1-yl]benzenesulfonyl fluoride (CID 167972866) is 3-[4-[2-(cyclopentylamino)ethyl]triazol-1-yl]benzenesulfonyl fluoride.
What is the SMILES notation for 3-[4-[2-(cyclopentylamino)ethyl]triazol-1-yl]benzenesulfonyl fluoride?
The canonical SMILES for 3-[4-[2-(cyclopentylamino)ethyl]triazol-1-yl]benzenesulfonyl fluoride is O=S(=O)(F)c1cccc(-n2cc(CCNC3CCCC3)nn2)c1.
What is the InChIKey of 3-[4-[2-(cyclopentylamino)ethyl]triazol-1-yl]benzenesulfonyl fluoride?
The InChIKey is PEPWTDNZGSAEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2S/c16-23(21,22)15-7-3-6-14(10-15)20-11-13(18-19-20)8-9-17-12-4-1-2-5-12/h3,6-7,10-12,17H,1-2,4-5,8-9H2.
What are the key properties of 3-[4-[2-(cyclopentylamino)ethyl]triazol-1-yl]benzenesulfonyl fluoride?
3-[4-[2-(cyclopentylamino)ethyl]triazol-1-yl]benzenesulfonyl fluoride has a molecular weight of 338.41 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(cyclopentylamino)ethyl]triazol-1-yl]benzenesulfonyl fluoride is sourced from PubChem (CID 167972866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).